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Ethyl 2-cyclopentylacetate

CAT: 0127-OR1075123-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1075123-01Size:100 mg
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CAS Number
18322-54-8
MDL Number
MFCD00019300
Purity
95%
Smiles
O=C(OCC)CC1CCCC1

Chemical Information

Ethyl cyclopentylacetate
CAS Number18322-54-8
PubChem CID247667
IUPAC Nameethyl 2-cyclopentylacetate
Molecular FormulaC9H16O2
Molecular Weight156.22
XLogP2.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity126
SMILES
CCOC(=O)CC1CCCC1
InChI
InChI=1S/C9H16O2/c1-2-11-9(10)7-8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKey
DBSADESEDBCPFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl cyclopentylacetate
CAS: 18322-54-8
CID: 247667
Formula: C9H16O2
MW: 156.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.22
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass156.115029749
Monoisotopic Mass156.115029749
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity126
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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